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76542-21-7 | 1-Bromo-4-n-hexylthiobenzene
CAS No: 76542-21-7 Catalog No: AG01EXC3 MDL No:
Product Description
Catalog Number:
AG01EXC3
Chemical Name:
1-Bromo-4-n-hexylthiobenzene
CAS Number:
76542-21-7
Molecular Formula:
C12H17BrS
Molecular Weight:
273.2324
IUPAC Name:
1-bromo-4-hexylsulfanylbenzene
InChI:
InChI=1S/C12H17BrS/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3
InChI Key:
AWHCKXNGTIXSAP-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc(cc1)Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.232g/mol
Monoisotopic Mass:
272.023g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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